potassium 3,5-dimethylpyrazole-1-carbodithioate

C6H7KN2S2 — CID 23667477

IUPACpotassium 3,5-dimethylpyrazole-1-carbodithioate
SMILESCc1cc(C)n(C(=S)[S-])n1.[K+]
InChIInChI=1S/C6H8N2S2.K/c1-4-3-5(2)8(7-4)6(9)10;/h3H,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyJDIHPETWTXJUBS-UHFFFAOYSA-M
MW210.37 g/mol
LogP-1.82
Rot. Bonds

About potassium 3,5-dimethylpyrazole-1-carbodithioate

potassium 3,5-dimethylpyrazole-1-carbodithioate (PubChem CID 23667477) has the molecular formula C6H7KN2S2 and a molecular weight of 210.37 g/mol. Its IUPAC name is potassium 3,5-dimethylpyrazole-1-carbodithioate.

Molecular Properties

Compound Namepotassium 3,5-dimethylpyrazole-1-carbodithioate
PubChem CID23667477
Molecular FormulaC6H7KN2S2
Molecular Weight210.37 g/mol
Exact Mass209.97
IUPAC Namepotassium 3,5-dimethylpyrazole-1-carbodithioate
SMILESCc1cc(C)n(C(=S)[S-])n1.[K+]
InChIInChI=1S/C6H8N2S2.K/c1-4-3-5(2)8(7-4)6(9)10;/h3H,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyJDIHPETWTXJUBS-UHFFFAOYSA-M
XLogP-1.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 3,5-dimethylpyrazole-1-carbodithioate?
The IUPAC name of potassium 3,5-dimethylpyrazole-1-carbodithioate (CID 23667477) is potassium 3,5-dimethylpyrazole-1-carbodithioate.
What is the SMILES notation for potassium 3,5-dimethylpyrazole-1-carbodithioate?
The canonical SMILES for potassium 3,5-dimethylpyrazole-1-carbodithioate is Cc1cc(C)n(C(=S)[S-])n1.[K+].
What is the InChIKey of potassium 3,5-dimethylpyrazole-1-carbodithioate?
The InChIKey is JDIHPETWTXJUBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2S2.K/c1-4-3-5(2)8(7-4)6(9)10;/h3H,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 3,5-dimethylpyrazole-1-carbodithioate?
potassium 3,5-dimethylpyrazole-1-carbodithioate has a molecular weight of 210.37 g/mol, XLogP of -1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,5-dimethylpyrazole-1-carbodithioate is sourced from PubChem (CID 23667477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).